Multidimensional replica-exchange method for free-energy calculations

Journal of Chemical Physics

Volumn 113, Issue 15, 2000, Pages 6042-6051

  Sugita, Yuji ^a   Kitao, Akio ^b   Okamoto, Yuko ^a,c  

^a INSTITUTE FOR MOLECULAR SCIENCE   (Japan)

^b KYOTO UNIVERSITY   (Japan)

^c GRADUATE UNIVERSITY FOR ADVANCED STUDIES   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; COMPUTER SIMULATION; CONFORMATIONS; FREE ENERGY; MOLECULAR STRUCTURE; MONTE CARLO METHODS; PERTURBATION TECHNIQUES; PROBABILITY DISTRIBUTIONS; THERMAL EFFECTS; THERMODYNAMIC PROPERTIES;

ALANINE TRIMER; MULTIDIMENSIONAL REPLICA EXCHANGE METHOD; REPLICA EXCHANGE UMBRELLA SAMPLING; WEIGHTED HISTOGRAM ANALYSIS METHOD;

MOLECULAR DYNAMICS;

EID: 0034294024     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1308516     Document Type: Article

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